Molecule FYI-1008215

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A

Molecule Summary:

ID: FYI-1008215
Names:
InChIKey: UARPTEZUUVHMBE-UHFFFAOYSA-N
SMILES: Cc2c(c1ccccc1)cnn2C

Received at FYIcenter.com on: 2024-04-24

Molecule ID: FYI-1008215 Edit

Molecule Structure InChIKey: UARPTEZUUVHMBE-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2c(c1ccccc1)cnn2C

Download SDF Download SVG Structure in 2D SDF:

FYI-1008215
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    4.4050    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1926    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9137    2.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9768    1.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6768    0.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0463    0.9369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0866    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6225    4.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6629    5.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    6.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    7.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    4.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008215-3D
FYIcenter.com

 25 26  0     0  0  0  0  0  0999 V2000
    2.6588   -0.0139    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5962    1.3286   -0.0057 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5177    0.3931    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4381   -0.6225    0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9058    0.2018    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2826    1.5709   -0.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2846   -2.0913    0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9512   -0.6592   -0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5946    0.1006   -1.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5993    0.1169    1.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9771   -0.0854   -1.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9818   -0.0692    1.2063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6706   -0.1704   -0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9448    2.5977   -0.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7448   -2.5337   -0.8777 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7575   -2.5265    0.8984 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2326   -2.3927    0.0208 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0265   -1.2799   -0.8987 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7390    0.0988   -0.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0355   -1.2686    0.9005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0693    0.1645   -2.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0778    0.1936    2.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5135   -0.1643   -2.1507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5219   -0.1355    2.1462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7470   -0.3154   -0.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  2  6  2  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 11  1  0  0  0  0
  9 21  1  0  0  0  0
 10 12  2  0  0  0  0
 10 22  1  0  0  0  0
 11 13  2  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-07-15, 1209👍, 0💬